8014-9155 Screening compound: 6-(1H-imidazol-1-yl)-N2,N2-diphenyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

8014-9155 Screening compound: 6-(1H-imidazol-1-yl)-N2,N2-diphenyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
8014-9155 Screening compound: 6-(1H-imidazol-1-yl)-N2,N2-diphenyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9155
6-(1H-imidazol-1-yl)-N2,N2-diphenyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8014-9155

Molecular Formula

C21H21N7 (C21 H21 N7)

Compound Name

6-(1H-imidazol-1-yl)-N2,N2-diphenyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-(1H-imidazol-1-yl)-N2N2-diphenyl-N4-(propan-2-yl)-135-triazine-24-diamine

SMILES

CC(C)Nc1nc(-n2cncc2)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C21H21N7/c1-16(2)23-19-24-20(27-14-13-22-15-27)26-21(25-19)28(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24,25,26)

InChI Key

BSEODYOFZXTHSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.18

Polar Surface Area

52.974

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8014-9155 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8014-9155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9155?
Check Price and Availability of 8014-9155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-9155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9155
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-9155 available by request